5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,1'-cyclopropane]-3-yl-2-pyridinyl)benzamide

C26H24FN7O — CID 142417442

IUPAC5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,1'-cyclopropane]-3-yl-2-pyridinyl)benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CC3(CC3)C4)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C26H24FN7O/c1-15-9-18(27)17(10-21(15)33-12-20(28-14-33)16-5-6-16)25(35)30-22-4-2-3-19(29-22)24-32-31-23-11-26(7-8-26)13-34(23)24/h2-4,9-10,12,14,16H,5-8,11,13H2,1H3,(H,29,30,35)
InChIKeyIQYZSEJHNJSVSK-UHFFFAOYSA-N
MW469.52 g/mol
LogP4.44
Rot. Bonds5

About 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,1'-cyclopropane]-3-yl-2-pyridinyl)benzamide

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,1'-cyclopropane]-3-yl-2-pyridinyl)benzamide (PubChem CID 142417442) has the molecular formula C26H24FN7O and a molecular weight of 469.52 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,1'-cyclopropane]-3-yl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,1'-cyclopropane]-3-yl-2-pyridinyl)benzamide
PubChem CID142417442
Molecular FormulaC26H24FN7O
Molecular Weight469.52 g/mol
Exact Mass469.20
IUPAC Name5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,1'-cyclopropane]-3-yl-2-pyridinyl)benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CC3(CC3)C4)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C26H24FN7O/c1-15-9-18(27)17(10-21(15)33-12-20(28-14-33)16-5-6-16)25(35)30-22-4-2-3-19(29-22)24-32-31-23-11-26(7-8-26)13-34(23)24/h2-4,9-10,12,14,16H,5-8,11,13H2,1H3,(H,29,30,35)
InChIKeyIQYZSEJHNJSVSK-UHFFFAOYSA-N
XLogP4.44
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,1'-cyclopropane]-3-yl-2-pyridinyl)benzamide with MolForge

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Related Compounds

Selonsertib
CID 71245288
GS-444217
CID 57504987
US11136324, Example 10
CID 142417486
3-(4-cyclopropyl-1H-imidazol-1-yl)-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)benzamide
CID 57504995
USRE48711, Example 184
CID 58103093
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide
CID 71245213
US11136324, Example 9
CID 135307214
US11136324, Example 8
CID 135307239
US11040968, Example 001
CID 135307264
US10787435, Example 005
CID 135307375
US11136324, Example 4
CID 137510767
US11040968, Example 003
CID 137511135

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,1'-cyclopropane]-3-yl-2-pyridinyl)benzamide?
The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,1'-cyclopropane]-3-yl-2-pyridinyl)benzamide (CID 142417442) is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,1'-cyclopropane]-3-yl-2-pyridinyl)benzamide.
What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,1'-cyclopropane]-3-yl-2-pyridinyl)benzamide?
The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,1'-cyclopropane]-3-yl-2-pyridinyl)benzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CC3(CC3)C4)n2)cc1-n1cnc(C2CC2)c1.
What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,1'-cyclopropane]-3-yl-2-pyridinyl)benzamide?
The InChIKey is IQYZSEJHNJSVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O/c1-15-9-18(27)17(10-21(15)33-12-20(28-14-33)16-5-6-16)25(35)30-22-4-2-3-19(29-22)24-32-31-23-11-26(7-8-26)13-34(23)24/h2-4,9-10,12,14,16H,5-8,11,13H2,1H3,(H,29,30,35).
What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,1'-cyclopropane]-3-yl-2-pyridinyl)benzamide?
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,1'-cyclopropane]-3-yl-2-pyridinyl)benzamide has a molecular weight of 469.52 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-(6-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,1'-cyclopropane]-3-yl-2-pyridinyl)benzamide is sourced from PubChem (CID 142417442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).